4'-Isopropoxyacetanilide
Basic information
- CAS
7146-61-4- Standard SMILES
CC(=O)Nc1ccc(OC(C)C)cc1- InChIKey
QCSNJTIWCIMFFY-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
metabolite of phenacetin; structure given in first source
Names & identifiers
- Preferred name
- 4'-Isopropoxyacetanilide
- IUPAC
- N-(4-propan-2-yloxyphenyl)acetamide
- English name
- O-isopropyl acetaminophen
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
7146-61-44'-IsopropoxyacetanilideO-Isopropyl acetaminophenO-Isopropyl paracetamolDTXSID80221675RefChem:911757DTXCID10144166N-(4-isopropoxyphenyl)acetamideN-(4-propan-2-yloxyphenyl)acetamideN-[4-(propan-2-yloxy)phenyl]acetamideCBDivE_000649SCHEMBL6783366
Show more names
4-IsopropoxyacetanilideAcetamide, N-[4-(1-methylethoxy)phenyl]-
QCSNJTIWCIMFFY-UHFFFAOYSA-NNSC23810N-[4-(methylethoxy)phenyl]acetamideNSC 23810NSC-23810STK386854AKOS000501437FS-2327
Database identifiers
- CAS
7146-61-4- PubChem CID
- 95213
- DTXSID
DTXSID80221675- Nikkaji
- J355.903C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 358.3 · 358.3±25.0 °C(Predicted)
- Density
- 1.074 · 1.074±0.06 g/cm3(Predicted)
- pka
- 14.57 · 14.57±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/MetabolitesO-isopropyl acetaminophen has known human metabolites that include N-(4-Methoxyphenyl)formamide and acetaminophen.
Related reactions
2 records
Compound notes
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